1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one

C11H13NO2 — CID 51346068

IUPAC1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC1c1ccco1
InChIInChI=1S/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2
InChIKeyZUUFKTBKSJLWIP-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds2

About 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one

1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 51346068) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID51346068
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCC1c1ccco1
InChIInChI=1S/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2
InChIKeyZUUFKTBKSJLWIP-UHFFFAOYSA-N
XLogP2.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
4-[(2S)-2-(furan-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 124701060
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
[(2S)-2-(furan-2-yl)azepan-1-yl]-pyrrolidin-1-ylmethanone
CID 95728453
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
[2-(furan-2-yl)pyrrolidin-1-yl]-(3-methyl-4,5,6,7-tetrahydrobenzotriazol-5-yl)methanone
CID 136543492
3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97126401
3-[2-[2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72876827

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one (CID 51346068) is 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC1c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is ZUUFKTBKSJLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2.
What are the key properties of 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one?
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 51346068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).